3-(1-benzyl-1H-imidazol-2-yl)-1-(4-methylbenzoyl)piperidine

• ChemBase ID: 481200
• Molecular Formular: C23H25N3O
• Molecular Mass: 359.4641
• Monoisotopic Mass: 359.19976244
• SMILES: c1(n(ccn1)Cc1ccccc1)C1CN(C(=O)c2ccc(cc2)C)CCC1
• Canonical SMILES: Cc1ccc(cc1)C(=O)N1CCCC(C1)c1nccn1Cc1ccccc1
• InChI: InChI=1S/C23H25N3O/c1-18-9-11-20(12-10-18)23(27)26-14-5-8-21(17-26)22-24-13-15-25(22)16-19-6-3-2-4-7-19/h2-4,6-7,9-13,15,21H,5,8,14,16-17H2,1H3
• InChIKey: SIAYKKZFCVZETP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-benzyl-1H-imidazol-2-yl)-1-(4-methylbenzoyl)piperidine
• IUPAC Traditional name: 3-(1-benzylimidazol-2-yl)-1-(4-methylbenzoyl)piperidine
• Synonyms: 3-(1-benzyl-1H-imidazol-2-yl)-1-(4-methylbenzoyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.5156698
• LogD (pH = 7.4): 4.13648
• Log P: 4.163013
• Molar Refractivity: 108.518 cm^3
• Polarizability: 41.17809 Å^3
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.86
• LOG S: -4.26
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 4